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Compound Detail

CHEMBL143108

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N#C/C(=C\c1ccc2[nH]ccc2c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc2[nH]ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL143108
Phase Preclinical
Structure Type MOL
InChI Key OBKFTXZDEKYDTC-HOFJZWJUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
3.79
ALogP
4
HBA
4
HBD
137.4
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N6O2
MW 462.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
8960549 10.1021/jm960225d Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine